SCHEMBL16576035

SCHEMBL16576035

COP(=O)(N[C@@H](C)C(=O)OCc1ccccc1)Oc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 3/20 0.50
▸ TP53 P04637 1/20 0.50
▸ ELANE P08246 2/20 0.46
▸ PRTN3 P24158 2/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KYNU Q16719 1/20 0.39
▸ KLK1 P06870 1/20 0.39
▸ KCNA3 P22001 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16576028 1.00 BTN3A1 (0.50) BTN3A1TP53ELANEPRTN3NPC1
SCHEMBL16576019 1.00 BTN3A1 (0.50) BTN3A1TP53ELANEPRTN3NPC1
SCHEMBL18973471 0.94 TP53 (0.56) BTN3A1TP53ELANEPRTN3NPC1
SCHEMBL12094256 0.92 BTN3A1 (0.56) BTN3A1TP53ELANEPRTN3KLK1
SCHEMBL24505391 0.87 BTN3A1 (0.60) BTN3A1TP53ELANEPRTN3ALDH1A1
SCHEMBL18973549 0.87 BTN3A1 (0.60) BTN3A1TP53ELANEPRTN3ALDH1A1
SCHEMBL15593268 0.86 BTN3A1 (0.49) BTN3A1TP53ELANEPRTN3NPC1
SCHEMBL19894592 0.86 BTN3A1 (0.49) BTN3A1TP53ELANEPRTN3NPC1
SCHEMBL28918364 0.86 TP53 (0.52) BTN3A1TP53ELANEPRTN3NPC1
SCHEMBL12621325 0.86 TP53 (0.52) BTN3A1TP53ELANEPRTN3NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015038596-A1 NUCLEOTIDE AND NUCLEOSIDE COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2015-03-19 — — WO disclosed
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